46937145 -OEChem-10051721193D 37 38 0 1 0 0 0 0 0999 V2000 -3.0919 -1.4315 -2.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -1.7323 1.1077 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1646 2.2704 -1.0335 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4836 1.9005 1.9173 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1383 1.9223 -0.2553 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2418 0.1559 0.0314 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1845 -1.2608 -0.0308 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5166 0.1752 0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2472 1.2539 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 -0.2057 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2398 -0.6121 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7498 1.3172 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 -0.7441 -0.9591 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5927 -0.9563 -0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8435 -0.9101 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 -0.9665 1.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0403 0.2030 -1.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0281 -1.3187 1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3093 -0.1493 -1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8728 -0.2085 0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8443 1.2976 0.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6420 0.9817 -1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 2.2166 -0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3573 -0.4594 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7064 0.6000 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 0.3245 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3181 -0.6519 -1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -2.0289 -0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4952 -1.9206 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 -1.2749 1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 0.7685 -1.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8694 -0.4782 1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1479 -0.5088 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 -1.9056 1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9027 0.1867 -1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 -1.5751 -2.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 2.8781 1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 36 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 21 1 0 0 0 0 4 37 1 0 0 0 0 5 21 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 20 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 M END > DB08378 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SUETUOGYOWOLNJ-NSHDSACASA-N/SDF?record_type=3d > [H][C@](O)(CCC(O)=O)NC1=CC=C(C=C1)N1C(=O)CCC1=O > InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1 > SUETUOGYOWOLNJ-NSHDSACASA-N > C14H16N2O5 > 292.2872 > 292.105921632 > 6 > 37 > -0.9983722918136753 > 29.649759820312955 > 1 > 3 > 0 > 1 > (4S)-4-{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino}-4-hydroxybutanoic acid > 0.55 > -0.2283270773333331 > -2.16 > 0 > -1 > 2 > -1 > 13.436486872520408 > 4.212212368225335 > 0.9144211262257906 > 106.94 > 73.8288 > 6 > 1 > 2.03e+00 g/l > tetrahydrofolic acid > 0 $$$$